[3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-[(1-oxidanylcyclohexyl)methyl]azanium

Systemtic Name: [3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-[(1-oxidanylcyclohexyl)methyl]azanium Openeye Name: (1-hydroxycyclohexyl)methyl-[[3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl]ammonium CAS Name: (1-hydroxycyclohexyl)methyl-[[3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: (1-hydroxycyclohexyl)methyl-[[3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl]azanium Traditional Name: (1-hydroxycyclohexyl)methyl-[3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]ammonium Formula: C21H36N2O4+2 MolecularWeight: 380.52154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C[NH2+]CC2=CC(=CC=C2)OCC(C[NH+]3CCOCC3)O)O

Isomeric SMILES

C1CCC(CC1)(C[NH2+]CC2=CC(=CC=C2)OC[C@H](C[NH+]3CCOCC3)O)O

InChI

InChI=1S/C21H34N2O4/c24-19(15-23-9-11-26-12-10-23)16-27-20-6-4-5-18(13-20)14-22-17-21(25)7-2-1-3-8-21/h4-6,13,19,22,24-25H,1-3,7-12,14-17H2/p+2/t19-/m0/s1